TL;DR: N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide (CAS 1180609-76-0) is a chemical compound with molecular formula C18H18Cl2N2O4 and molecular weight 396.06436 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
Also Known As: N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide
| Molecular Formula | C18H18Cl2N2O4 |
| Molecular Weight | 396.06436 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.06436 Da |
| Heavy Atoms | 26 |
| Complexity | 494.0 |
| SMILES | CN(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)C2=CC(=C(C=C2)OC)OC |
| InChIKey | DESIRYPBFCHAJE-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide. Following Lipinski's Rule of Five, N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide is 1180609-76-0.
The molecular formula of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide is C18H18Cl2N2O4.
The molecular weight of N-[2-(3,4-dichloroanilino)-2-oxoethyl]-3,4-dimethoxy-N-methylbenzamide is 396.06436 g/mol.
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